5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide

C32H37N5O4 — CID 143234759

About 5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide

5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide (PubChem CID 143234759) has the molecular formula C32H37N5O4 and a molecular weight of 555.68 g/mol. Its IUPAC name is 5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide.

Molecular Properties

• Compound Name: 5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide
• PubChem CID: 143234759
• Molecular Formula: C32H37N5O4
• Molecular Weight: 555.68 g/mol
• Exact Mass: 555.28
• IUPAC Name: 5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide
• SMILES: COc1ccc(OCCN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)cc1C(=O)NC=O
• InChI: InChI=1S/C32H37N5O4/c1-32(2,3)23-10-8-22(9-11-23)30-34-26-6-5-7-27(29(26)35-30)37-16-14-36(15-17-37)18-19-41-24-12-13-28(40-4)25(20-24)31(39)33-21-38/h5-13,20-21H,14-19H2,1-4H3,(H,34,35)(H,33,38,39)
• InChIKey: JDGVIQMFHAQQFS-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 99.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.68
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide?

The IUPAC name of 5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide (CID 143234759) is 5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide.

What is the SMILES notation for 5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide?

The canonical SMILES for 5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide is COc1ccc(OCCN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)cc1C(=O)NC=O.

What is the InChIKey of 5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide?

The InChIKey is JDGVIQMFHAQQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4/c1-32(2,3)23-10-8-22(9-11-23)30-34-26-6-5-7-27(29(26)35-30)37-16-14-36(15-17-37)18-19-41-24-12-13-28(40-4)25(20-24)31(39)33-21-38/h5-13,20-21H,14-19H2,1-4H3,(H,34,35)(H,33,38,39).

What are the key properties of 5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide?

5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide has a molecular weight of 555.68 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]-N-formyl-2-methoxybenzamide is sourced from PubChem (CID 143234759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).